G889-0272 Screening compound: 2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid

G889-0272 Screening compound: 2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid
G889-0272 Screening compound: 2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G889-0272
2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G889-0272

Molecular Formula

C20H21FN2O3 (C20 H21 FN2 O3)

Compound Name

2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid

IUPAC name

2-(azepan-1-yl)-5-(4-fluorobenzamido)benzoic acid

SMILES

OC(c(cc(cc1)NC(c(cc2)ccc2F)=O)c1N1CCCCCC1)=O

InChI

InChI=1S/C20H21FN2O3/c21-15-7-5-14(6-8-15)19(24)22-16-9-10-18(17(13-16)20(25)26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)(H,25,26)

InChI Key

YFXJYYCDFHSFEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27166177

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.379

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-4.17

Polar Surface Area

55.220

Acid Dissociation Constant (pKa)

5.15

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G889-0272 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G889-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G889-0272?
Check Price and Availability of G889-0272, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G889-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G889-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G889-0272
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G889-0272 available by request